1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C24H32N4O4 — CID 110236654

IUPAC1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C24H32N4O4/c1-16-14-28(15-17(2)32-16)24(30)21-13-25-26-23(21)19-8-10-27(11-9-19)22(29)12-18-4-6-20(31-3)7-5-18/h4-7,13,16-17,19H,8-12,14-15H2,1-3H3,(H,25,26)
InChIKeyNJSCIVNQSPGCAL-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 110236654) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID110236654
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C24H32N4O4/c1-16-14-28(15-17(2)32-16)24(30)21-13-25-26-23(21)19-8-10-27(11-9-19)22(29)12-18-4-6-20(31-3)7-5-18/h4-7,13,16-17,19H,8-12,14-15H2,1-3H3,(H,25,26)
InChIKeyNJSCIVNQSPGCAL-UHFFFAOYSA-N
XLogP2.62
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 110236654) is 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is NJSCIVNQSPGCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-16-14-28(15-17(2)32-16)24(30)21-13-25-26-23(21)19-8-10-27(11-9-19)22(29)12-18-4-6-20(31-3)7-5-18/h4-7,13,16-17,19H,8-12,14-15H2,1-3H3,(H,25,26).
What are the key properties of 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 440.54 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 110236654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).